This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling.

Contents:

Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects

Linking nanoscale and macroscale

Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations

Multiscale modeling predictions of age hardening curves in Al-Cu alloys

Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries

Product Properties of a two-phase magneto-electric composite

Part II: Multiscale simulations of plastic deformation and fracture

Niobium/alumina bicrystal interface fracture

Atomistically informed crystal plasticity model for body-centred cubic iron

FE2AT ・ finite element informed atomistic simulations

Multiscale fatigue crack growth modeling for welded stiffened panels

Molecular dynamics study on low temperature brittleness in tungsten single crystals

Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure

Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites

Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites

Multiscale Modeling of Nano-Biosensors

Finite strain compressive behaviour of CNT/epoxy nanocomposites

Peptide・zinc oxide interaction